Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11060860 | 0.59 | — | — | |
| SCHEMBL47202 | 0.59 | — | — | |
| SCHEMBL536270 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL8463720 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8459645 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8458248 | 0.58 | MCL1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8463330 | 0.58 | DAO (0.31) | — | |
| Hydrochloric Acid SCHEMBL8461584 | 0.58 | DAO (0.31) | — | |
| Hydrochloric Acid SCHEMBL14954101 | 0.57 | — | — | |
| SCHEMBL5348678 | 0.57 | DAO (0.35) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0914319-A1 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | TEIJIN LIMITED (JP) | 1999-05-12 | — | — | EP | disclosed |
| WO-1997044329-A9 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | — | 1998-03-12 | — | — | WO | disclosed |
| WO-1997044329-A1 | DIARYLALKYL CYCLIC DIAMINE DERIVATIVES AS CHEMOKINE RECEPTOR ANTAGONISTS | TEIJIN LIMITED (JP) | 1997-11-27 | — | — | WO | disclosed |